DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on La3OsO7 by Materials Project

Abstract

La3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.79 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of La–O bond distances ranging from 2.34–2.64 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are four shorter (1.99 Å) and two longer (2.02 Å) Os–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In themore » second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-31353
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3OsO7; La-O-Os
OSTI Identifier:
1205601
DOI:
https://doi.org/10.17188/1205601

Citation Formats

The Materials Project. Materials Data on La3OsO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205601.
The Materials Project. Materials Data on La3OsO7 by Materials Project. United States. doi:https://doi.org/10.17188/1205601
The Materials Project. 2020. "Materials Data on La3OsO7 by Materials Project". United States. doi:https://doi.org/10.17188/1205601. https://www.osti.gov/servlets/purl/1205601. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205601,
title = {Materials Data on La3OsO7 by Materials Project},
author = {The Materials Project},
abstractNote = {La3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.79 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of La–O bond distances ranging from 2.34–2.64 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are four shorter (1.99 Å) and two longer (2.02 Å) Os–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os5+ atoms.},
doi = {10.17188/1205601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}